UCSF

ZINC28712203

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 0.94 -12.41 2 5 0 79 271.301 2
Hi High (pH 8-9.5) 2.45 1.7 -55.25 1 5 -1 82 270.293 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.